Detailed information for compound 1593831

Basic information

Technical information
  • TDR Targets ID: 1593831
  • Name: NCI60_035803
  • MW: 349.594 | Formula: C23H43NO
  • H donors: 1 H acceptors: 1 LogP: 7.34 Rotable bonds: 11
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCCCCCCCCCCN1[C@H]2CCC[C@H]2C([C@H]2[C@@H]1CCC2)O
  • InChi: 1S/C23H43NO/c1-2-3-4-5-6-7-8-9-10-11-18-24-21-16-12-14-19(21)23(25)20-15-13-17-22(20)24/h19-23,25H,2-18H2,1H3/t19-,20-,21+,22+/m1/s1
  • InChiKey: CRTCJIUVJGSNJR-CZYKHXBRSA-N  


Substructure search Similarity search

Network

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Synonyms

  • NSC699842

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Entamoeba histolytica tyrosin kinase, putative 0.0015 0.0274 1
Echinococcus multilocularis hypothetical protein 0.0025 0.1032 0.4062
Loa Loa (eye worm) hypothetical protein 0.0025 0.1032 0.1032
Loa Loa (eye worm) hypothetical protein 0.0025 0.1032 0.1032
Schistosoma mansoni hypothetical protein 0.0025 0.1032 0.5944
Loa Loa (eye worm) hypothetical protein 0.0035 0.1737 0.1737
Echinococcus granulosus semaphorin 5B 0.0025 0.1032 0.4062
Loa Loa (eye worm) hypothetical protein 0.0025 0.1032 0.1032
Entamoeba histolytica protein kinase domain containing protein 0.0015 0.0274 1
Loa Loa (eye worm) sema domain-containing protein 0.0025 0.1032 0.1032
Echinococcus granulosus plexin a4 0.0046 0.2542 1
Echinococcus multilocularis neuroglian 0.0011 0.0013 0.0052
Trichomonas vaginalis conserved hypothetical protein 0.0011 0 0.5
Loa Loa (eye worm) plexin A 0.0046 0.2542 0.2542
Echinococcus granulosus semaphorin 1A 0.0025 0.1032 0.4062
Echinococcus multilocularis roundabout 2 0.0014 0.0226 0.0887
Echinococcus granulosus neurotracting:lsamp:neurotrimin:obcam 0.0012 0.0059 0.0233
Loa Loa (eye worm) hypothetical protein 0.0025 0.1032 0.1032
Loa Loa (eye worm) hypothetical protein 0.0014 0.0226 0.0226
Trichomonas vaginalis conserved hypothetical protein 0.0011 0 0.5
Brugia malayi plexin A 0.0046 0.2542 0.2542
Echinococcus granulosus neuroglian 0.0011 0.0013 0.0052
Trichomonas vaginalis Clan MA, family M8, leishmanolysin-like metallopeptidase 0.0011 0 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0011 0 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0011 0 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0011 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0025 0.1032 0.1032
Trichomonas vaginalis conserved hypothetical protein 0.0011 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0014 0.0226 0.0226
Loa Loa (eye worm) TK/KIN16 protein kinase 0.0149 1 1
Brugia malayi hypothetical protein 0.0025 0.1032 0.1032
Trichomonas vaginalis conserved hypothetical protein 0.0011 0 0.5
Schistosoma mansoni nephrin 0.0011 0.0013 0.0075
Trichomonas vaginalis Clan MA, family M8, leishmanolysin-like metallopeptidase 0.0011 0 0.5
Onchocerca volvulus 0.0133 0.8861 0.9467
Echinococcus multilocularis semaphorin 5B 0.0025 0.1032 0.4062
Echinococcus multilocularis plexin a4 0.0046 0.2542 1
Echinococcus granulosus roundabout 2 0.0014 0.0226 0.0887
Onchocerca volvulus 0.0035 0.1737 0.0852
Loa Loa (eye worm) sema domain-containing protein 0.0025 0.1032 0.1032
Brugia malayi Plexin repeat family protein 0.0035 0.1737 0.1737
Schistosoma mansoni hypothetical protein 0.0025 0.1032 0.5944
Loa Loa (eye worm) hypothetical protein 0.0025 0.1032 0.1032
Trichomonas vaginalis Clan MA, family M8, leishmanolysin-like metallopeptidase 0.0011 0 0.5
Trichomonas vaginalis Clan MA, family M8, leishmanolysin-like metallopeptidase 0.0011 0 0.5
Brugia malayi hypothetical protein 0.0025 0.1032 0.1032
Loa Loa (eye worm) hypothetical protein 0.0012 0.0059 0.0059
Brugia malayi Sema domain containing protein 0.0025 0.1032 0.1032
Schistosoma mansoni semaphorin 5-related 0.0025 0.1032 0.5944
Schistosoma mansoni cell adhesion molecule 0.0012 0.0059 0.0341
Echinococcus granulosus twitchin 0.0011 0.0013 0.0052
Schistosoma mansoni plexin 0.0035 0.1737 1
Brugia malayi Sema domain containing protein 0.0025 0.1032 0.1032
Trichomonas vaginalis Clan MA, family M8, leishmanolysin-like metallopeptidase 0.0011 0 0.5
Onchocerca volvulus Tyrosine kinase homolog 0.0139 0.9302 1

Activities

Activity type Activity value Assay description Source Reference
GI50 (functional) -4.471 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the HL-60(TB) Leukemia cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.371 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the NCI-H23 Non-Small Cell Lung cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.277 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SN12C Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.235 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SK-MEL-5 Melanoma cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the MDA-N Breast cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the ACHN Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the HOP-92 Non-Small Cell Lung cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the DU-145 Prostate cell line. (Class of assay: confirmatory) ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

No literature references available for this target.

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